Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MKKLEIQGLKKKYNGKWVIKGIDLTINEKECVALIGPNGAGKSTMINMIVQILTQDEGQITLDGESAKL-------VREKIGFLPQYPEFYGWMSATECLHFMG-KLSNMEKTDLKARINEVLLLVGLEESANKKISTYSGGMRQRLGIAQAILHRPELLVLDEPVSALDPIGRREMMLLLDKLKKE-ITILFSTHILKDAEEICDRIAIIKNGELVADKTVVQLMEEESSPVFDVEFNGNSEAWQTLLLQNKYVEKIEKVGMVYQVYTTNQKAGSEAVLSSLLQIDGEFIRVENRHQSLEEIFMEKVGK |
| 3C41 Chain:J ((1-217)) | LQMIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYII--------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C41.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -144584 for 1701 contacts (-85.0/contact) +
2D Compatibility (PS) -22200 + (NN) -4338 + (LL) 7764
1D Compatibility (HY) -16400 + (ID) 3400
Total energy: -183158.0 ( -107.68 by residue)
QMean score : 0.516
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